Hydrochloric Acid → methyl 3-({[4-({cyclohexyl[1-(3-ethoxyphenyl)-3-ethyl-1H-pyrazol-4-yl]methyl}amino)phenyl]carbonyl}amino)-2-methylpropanoate
Reaction equation
[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:22][CH3:23])[n:10][n:11](-[c:13]3[cH:14][c:15]([O:19][CH2:20][CH3:21])[cH:16][cH:17][cH:18]3)[cH:12]2)[NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:34].[NH2:57][CH2:58][CH:59]([C:60](=[O:61])[O:62][CH3:63])[CH3:64].[OH2:46].[OH2:70].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:22][CH3:23])[n:10][n:11](-[c:13]3[cH:14][c:15]([O:19][CH2:20][CH3:21])[cH:16][cH:17][cH:18]3)[cH:12]2)[NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:57][CH2:58][CH:59]([C:60](=[O:61])[O:62][CH3:63])[CH3:64])[cH:32][cH:33]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-dea005e7470c46258a277809c0da5293
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…